6-[[4-(4-fluorophenyl)carbonylphenyl]methylsulfanyl]-5-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[[4-(4-fluorophenyl)carbonylphenyl]methylsulfanyl]-5-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[[4-(4-fluorobenzoyl)phenyl]methylsulfanyl]-5-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[4-[(4-fluorophenyl)-oxomethyl]phenyl]methylthio]-5-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[[4-(4-fluorobenzoyl)phenyl]methylsulfanyl]-5-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[4-(4-fluorobenzoyl)benzyl]thio]-5-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H15FN4O2S MolecularWeight: 394.422103

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NN=C2)N=C1SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C(=O)C2=C(NN=C2)N=C1SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H15FN4O2S/c1-25-19(27)16-10-22-24-18(16)23-20(25)28-11-12-2-4-13(5-3-12)17(26)14-6-8-15(21)9-7-14/h2-10H,11H2,1H3,(H,22,24)